REMARK Name = BDB049798 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.670 -1.435 0.048 0.00 0.00 +0.073 C ATOM 2 C LIG 1 2.006 -2.139 0.342 0.00 0.00 +0.126 C ATOM 3 N LIG 1 3.014 -1.250 -0.215 0.00 0.00 -0.294 N ATOM 4 C LIG 1 4.361 -1.592 -0.127 0.00 0.00 +0.282 C ATOM 5 O LIG 1 4.700 -2.661 0.379 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 2.464 0.083 -0.421 0.00 0.00 +0.110 C ATOM 7 C LIG 1 1.073 0.036 0.205 0.00 0.00 +0.039 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 5.323 -0.648 -0.674 0.00 0.00 +0.195 A ATOM 9 N LIG 1 5.221 -0.014 -1.889 0.00 0.00 -0.334 N ATOM 10 H LIG 1 4.469 -0.144 -2.550 0.00 0.00 +0.168 HD ATOM 11 C LIG 1 6.321 0.784 -2.067 0.00 0.00 +0.067 A ATOM 12 C LIG 1 7.093 0.572 -0.928 0.00 0.00 +0.102 A ATOM 13 C LIG 1 8.323 1.247 -0.800 0.00 0.00 +0.064 A ATOM 14 C LIG 1 8.718 2.117 -1.834 0.00 0.00 +0.015 A ATOM 15 C LIG 1 7.918 2.306 -2.963 0.00 0.00 +0.003 A ATOM 16 C LIG 1 6.697 1.639 -3.106 0.00 0.00 +0.028 A ATOM 17 N LIG 1 6.462 -0.326 -0.086 0.00 0.00 -0.223 NA BRANCH 13 18 ATOM 18 C LIG 1 9.204 1.069 0.378 0.00 0.00 +0.244 C ATOM 19 O LIG 1 10.267 1.670 0.477 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 8.789 0.206 1.350 0.00 0.00 -0.325 N ATOM 21 H LIG 1 7.927 -0.327 1.252 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 9.388 0.033 2.143 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 4 8 BRANCH 1 23 ATOM 23 N LIG 1 -0.411 -1.862 0.935 0.00 0.00 -0.309 NA ATOM 24 H LIG 1 -0.495 -2.880 0.914 0.00 0.00 +0.123 HD BRANCH 23 29 ATOM 25 C LIG 1 -5.588 -0.171 -0.229 0.00 0.00 +0.403 C ATOM 26 N LIG 1 -4.444 -0.841 0.177 0.00 0.00 -0.267 N ATOM 27 C LIG 1 -3.821 -1.801 -0.715 0.00 0.00 +0.112 C ATOM 28 C LIG 1 -2.295 -1.689 -0.710 0.00 0.00 +0.038 C ATOM 29 C LIG 1 -1.715 -1.249 0.648 0.00 0.00 +0.057 C ATOM 30 C LIG 1 -2.689 -1.577 1.783 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -4.001 -0.826 1.567 0.00 0.00 +0.112 C ATOM 32 O LIG 1 -6.062 -0.256 -1.354 0.00 0.00 -0.226 OA BRANCH 25 33 ATOM 33 O LIG 1 -6.109 0.586 0.771 0.00 0.00 -0.445 OA BRANCH 33 35 ATOM 34 C LIG 1 -7.090 2.457 -0.497 0.00 0.00 +0.055 C ATOM 35 C LIG 1 -7.309 1.375 0.567 0.00 0.00 +0.107 C ATOM 36 C LIG 1 -8.514 0.486 0.245 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -7.555 2.062 1.919 0.00 0.00 +0.055 C ENDBRANCH 33 35 ENDBRANCH 25 33 ENDBRANCH 23 29 ENDBRANCH 1 23 TORSDOF 6